C241-1339 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C241-1339 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide
C241-1339 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1339
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C241-1339

Molecular Formula

C27H26N4O6S (C27 H26 N4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-{[(26-dimethylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)propanamide

SMILES

Cc1cccc(C)c1NC(CN(c1c(C(N2CCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C27H26N4O6S/c1-16-4-3-5-17(2)24(16)29-23(33)14-31-19-9-11-38-25(19)26(34)30(27(31)35)10-8-22(32)28-13-18-6-7-20-21(12-18)37-15-36-20/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,28,32)(H,29,33)

InChI Key

HNSAKKHMMAZVKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.57

Polar Surface Area

95.604

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C241-1339 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1339?
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What is the minimum amount of C241-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1339
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C241-1339 available by request